Geometry & MOs

Info

ID:	367633
PubChem CID:	127325123
Reduced:	OSN5C17H25 (1)
Stoich.:	ABC5D17E25 (1)
Weight, g/mol:	395.199111
ΔH_f, kcal/mol:	10.73
Dipole, Da:	3.83
IP(EA), eV:	-8.74(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-3-pyridin-3-ylbutan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CN(N=C2)C)C(=O)NCCN3CCCCCC3

DOS

IR

Vibrations